有机-无机复合物[Zn(C10H8N2)3][HPMo12O40（VO）2]的合成、晶体结构及性能研究

通过水热法合成了一种新型的有机-无机复合物[Zn(C10H8N2)3][HPMo12O40(VO)2],用X-射线单晶衍射技术及红外光谱对其结构进行了表征,并探讨了该复合物在仲辛醇选择性氧化制己酸中的催化活性.实验结果表明,该复合物是由1个金属有机配离子[Zn(C10H8N2)3]2+和1个多金属氧酸阴离子[HPMo12O40(VO)2]2-构成的,二者之间通过静电引力结合,该复合物对仲辛醇氧化制己酸具有较高的催化活性.     

第二过渡金属双核卤化物从头算研究

采用 ab initio 有效核芯势(ECP)方法研究第二过渡金属双核卤化物的电子结构。首先讨论 ECP价基的准确性和可靠性,而后用其计算[M_2Cl_8]~(n-)体系(M=Mo、Tc、Ru、Rh)。结果表明:[Mo_2Cl_8]~(4-)如[Tc_2Cl_8]~(2-)的金属间存在四重键σ~2π~4δ~2,而其等电子体系[Ru_2Cl_8],[Rh_2Cl_8]~(2+),金属间键级为 0。同时还计算了[M_2X_9]~(3-)体系(M=Nb、Mo、Tc、Ru,X=Cl、Br),其电子结构表明:金属间除了 M-Cl-M 桥键联结外,还直接形成金属键。从 Nb?Ru,随原子序数增大金属键从双键变为单键,以至不成键。     

三种多金属氧酸盐的制备及催化H2 O2氧化淀粉性能比较

以磷钼钒多阴离子[ PMo11 VO40]^4-、[ PMo10 V2 O40]^5-、[ PMo9 V3 O40]^6-为构建基元,分别和1-辛基-3-甲基咪唑阳离子通过离子交换反应制备三种多金属氧酸盐。以这三种多金属氧酸盐为氧化性催化剂,可溶性淀粉为原料,双氧水为氧化剂,应用于淀粉氧化实验并比较它们的催化氧化活性。试验结果显示,三种催化剂均具有较好的催化性能,其中用[Omim]4H[PMo10V2O40]（OP-MoV2）作催化剂时氧化淀粉中的羧基含量最高。     

混合钼钒多金属氧酸盐的水热合成、结构表征及磁性研究

通过水热方法合成了一种混合钼钒多金属氧酸盐[Cu(phen)_2]_4{HPMo_8~Ⅵ V_6~ⅣO_(42)[Cu(phen)]_2}·2H_2O.采用X射线单晶衍射、元素分析、红外光谱对其进行了表征,同时对其磁学性质进行了研究.结果表明:标题化合物包含高度还原的二帽假Keggin结构的多氧阴离子支撑2个过渡金属配合物,即铜配合物阳离子[Cu(phen)_2]~+和结晶水;该化合物呈铁磁性相互作用.     

金属络合阴离子型离子液体的合成、性能及对CO_2的捕集

以1-丁基-3-甲基咪唑阳离子([Bmim]+)型离子液体[Bmim]X(X=Cl,Ac)和等物质的量的无机盐AXn(A=Fe,Zn)为原料,通过一步法合成了金属络合阴离子型离子液体[Bmim][AXn+1],测定了离子液体在不同温度下的密度和黏度,采用经验模型关联了密度、黏度与温度的关系,对比研究了CO2气体在[Bmim]X和[Bmim][AXn+1]中的溶解度。[Bmim]X和[Bmim][AXn+1]的密度和黏度均随温度升高而下降,金属络合阴离子型离子液体[Bmim][AXn+1]的密度远远大于对应的传统离子液体[Bmim]X的密度。[Bmim][ZnCl3]和[Bmim][Zn(Ac)3]的黏度远远高于对应的[Bmim]Cl和[Bmim]Ac的黏度,但[Bmim][FeCl4]的黏度远低于对应的[Bmim]Cl的黏度。金属络合阴离子型离子液体[Bmim][AXn+1]吸收CO2的能力显著提高。     

三种多金属氧酸盐的制备及催化H_2O_2氧化淀粉性能比较

以磷钼钒多阴离子[PMo11VO40]4-、[PMo10V2O40]5-、[PMo9V3O40]6-为构建基元,分别和1-辛基-3-甲基咪唑阳离子通过离子交换反应制备三种多金属氧酸盐。以这三种多金属氧酸盐为氧化性催化剂,可溶性淀粉为原料,双氧水为氧化剂,应用于淀粉氧化实验并比较它们的催化氧化活性。试验结果显示,三种催化剂均具有较好的催化性能,其中用[Omim]4H[PMo10V2O40](OPMo V2)作催化剂时氧化淀粉中的羧基含量最高。     

双钒帽多金属氧酸盐化合物[Zn＾（Ⅱ）（2,2′-bpy）（H2O）2]2[HPMo＾Ⅴ6Mo＾Ⅵ6O（40）（V＾ⅣO）2]·2EtOH的水热合成和晶体结构

通过过渡金属阳离子ZnⅡ和2,2′-bpy有机含N配体作为调变单元,水热合成了新型多金属氧酸盐化合物[ZnⅡ（2,2′-bpy）（H2O）2]2[HPMo^Ⅴ6Mo^Ⅵ6O40（V^ⅣO）2].2EtOH.经单晶X-射线衍射分析该化合物是金属-有机片段通过钒氧帽和多金属氧酸盐骨架相连的多金属氧酸盐,化合物结晶于单斜晶系,P2（1）/n空间群.     

双钒帽多金属氧酸盐化合物[ZnⅡ（2,2′-bpy）（H2O）2]2[HPMoⅤ6MoⅥ6O40（VⅣO）2]·2EtOH的水热合成和晶体结构

通过过渡金属阳离子ZnⅡ和2,2′-bpy有机含N配体作为调变单元,水热合成了新型多金属氧酸盐化合物[ZnⅡ(2,2′-bpy)(H2O)2]2[HPMoⅤ6MoⅥ6O40(VⅣO)2].2EtOH.经单晶X-射线衍射分析该化合物是金属-有机片段通过钒氧帽和多金属氧酸盐骨架相连的多金属氧酸盐,化合物结晶于单斜晶系,P2(1)/n空间群.     

多金属氧酸盐[EMIM]_2·Na_2[SiW_(12)O_(40)]的离子热合成与表征

本文在离子液体[EMIM]Br(EMIM=1-甲基-3-乙基咪唑)中,利用离子热方法合成了一种未见报道的α-Keggin型多金属氧酸盐[EMIM]2·Na2[SiW12O40]。并利用X-射线晶体衍射、元素分析、红外、紫外、热分析、电化学等手段对其结构和性质进行了表征。     

利用离子色谱法测定中药川附子中的氯、磷和硫

中药的化学成分包括无机成分和有机成分 .对其无机成分的分析以金属元素分析居多[1～ 3] ,而对非金属元素的分析较少[4,5] .利用离子色谱法[6 ,7] 分析阴离子 ,具有快速、简便、灵敏、选择性好 ,能同时测定多组分的优点 ,在临床及药物分析中得到广泛应用[4,5 ,8] .虽然离子色谱法已用于中药中非金属元素的分析[4,5] ,但对附子中非金属元素的分析未见报道 .我们试验了以Ｎａ2 ＣＯ3作熔剂 ,干灰化 沸水浸取法处理样品[9] ,Ｎａ2 ＣＯ3 ＮａＨＣＯ3混合液为淋洗液 ,电导法检测 ,用双柱法同时测定川附子中氯、磷和硫的离子色谱法 ,完善了川附子…     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Design and analysis of generic LBS application developing platform

Location based services is promising due to its novel working style and contents.A software platform is proposed to provide application programs of typical location based services and support new applications developing efficiently. The analysis shows that this scheme is easy implemented, low cost and adapt to all kinds of mobile nework system.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that